(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C19H18N4O4/c1-12-7-13(2)9-14(8-12)18(25)20-10-17(24)27-11-23-19(26)15-5-3-4-6-16(15)21-22-23/h3-9H,10-11H2,1-2H3,(H,20,25)